N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide

C14H19N3O3 — CID 25162582

IUPACN-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1cccc(NC(=O)CCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H19N3O3/c1-11-3-2-4-12(15-11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16,18)
InChIKeyYTTKQHHNMWUFJH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.97
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide

N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 25162582) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID25162582
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1cccc(NC(=O)CCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H19N3O3/c1-11-3-2-4-12(15-11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16,18)
InChIKeyYTTKQHHNMWUFJH-UHFFFAOYSA-N
XLogP0.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide (CID 25162582) is N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide is Cc1cccc(NC(=O)CCC(=O)N2CCOCC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is YTTKQHHNMWUFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-3-2-4-12(15-11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 277.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 25162582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).